Vitas-M small molecule compound
3-{4-[1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-3-oxo-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-3,5-dimethyl-1H-pyrazol-1-yl}propanoic acid
Catalog ID
STL422712
SMILES OC(=O)CCn1nc(c(c1C)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O)C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H29N5O5S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O5S/c1-11-16(12(2)25(23-11)7-5-15(28)29)18-17-19(22-14(27)10-32-18)26(24-20(17)30)13-6-8-31-21(3,4)9-13/h13,18H,5-10H2,1-4H3,(H,22,27)(H,24,30)(H,28,29)InChIKey
FKIRXYXEROSMHH-UHFFFAOYSA-NSynonyms
1630823-85-61630823856
3(4(1(22dimethyloxan4yl)37dioxo48dihydro2Hpyrazolo(34e)(14)thiazepin4yl)35dimethylpyrazol1yl)propanoicacid
3(4(1(22dimethyltetrahydro2Hpyran4yl)7hydroxy3oxo2346tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)35dimethyl1Hpyrazol1yl)propanoicacid
CC1=C(C(=NN1CCC(=O)O)C)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C
InChI=1SC21H29N5O5Sc11116(12(2)25(2311)7515(28)29)181719(2214(27)103218)26(2420(17)30)13683121(34)913h1318H510H214H3(H2227)(H2430)(H2829)
MFCD30708325
OC(=O)CCn1nc(c(c1C)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O)C
ZINC000218302162
ZINC000218302316
Check stock
See real-time availability and sample size for STL422712 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.