Vitas-M small molecule compound
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]benzoic acid
Catalog ID
STL409827
SMILES OC1=Nc2c(C(SC1)c1ccc(cc1)C(=O)O)c(=O)[nH]n2C1CCOC(C1)(C)C
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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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c1-20(2)9-13(7-8-28-20)23-17-15(18(25)22-23)16(29-10-14(24)21-17)11-3-5-12(6-4-11)19(26)27/h3-6,13,16H,7-10H2,1-2H3,(H,21,24)(H,22,25)(H,26,27)InChIKey
CAVGRHZCZXFJAK-UHFFFAOYSA-NSynonyms
1574480-90-21574480902
4(1(22dimethyloxan4yl)37dioxo48dihydro2Hpyrazolo(34e)(14)thiazepin4yl)benzoicacid
4(1(22dimethyltetrahydro2Hpyran4yl)7hydroxy3oxo2346tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoicacid
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)C(=O)O)C(=O)N2)C
InChI=1SC20H23N3O5Sc120(2)913(782820)231715(18(25)2223)16(291014(24)2117)113512(6411)19(26)27h361316H710H212H3(H2124)(H2225)(H2627)
MFCD30705905
OC1=Nc2c(C(SC1)c1ccc(cc1)C(=O)O)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096117824
ZINC000096117827
Check stock
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