Vitas-M small molecule compound
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-oxo-3,4,5,6,7,8,9,10-octahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STK328680
SMILES O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)CSc1[nH]c(=O)c2c(n1)sc1c2CCCCCC1
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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 C25H27N5O3S2 MW 509.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3S2/c1-15-21(24(33)30(29(15)2)16-10-6-5-7-11-16)26-19(31)14-34-25-27-22(32)20-17-12-8-3-4-9-13-18(17)35-23(20)28-25/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,26,31)(H,27,28,32)InChIKey
PIQLAQLHTKOWPB-UHFFFAOYSA-NSynonyms
889948-61-2889948612
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C5=C(S4)CCCCCC5)C(=O)N3
InChI=1SC25H27N5O3S2c11521(24(33)30(29(15)2)16106571116)2619(31)1434252722(32)20171283491318(17)3523(20)2825h571011H34891214H212H3(H2631)(H272832)
MFCD06617297
N(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2((4oxo345678910octahydrocycloocta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(15dimethyl3oxo2phenylpyrazol4yl)2((4oxo5678910hexahydro3Hcycloocta(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)CSc1(nH)c(=O)c2c(n1)sc1c2CCCCCC1
ZINC000014945362
ZINC14945362
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