Vitas-M small molecule compound
1-cyclohexyl-7-hydroxy-4-(thiophen-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL313101
SMILES OC1=Nc2c(C(SC1)c1cccs1)c(=O)[nH]n2C1CCCCC1
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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 C16H19N3O2S2 MW 349.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O2S2/c20-12-9-23-14(11-7-4-8-22-11)13-15(17-12)19(18-16(13)21)10-5-2-1-3-6-10/h4,7-8,10,14H,1-3,5-6,9H2,(H,17,20)(H,18,21)InChIKey
OGFJKYCTFGJZLN-UHFFFAOYSA-NSynonyms
1436000-09-71436000097
1cyclohexyl4thiophen2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclohexyl7hydroxy4(thiophen2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=CS4)C(=O)N2
InChI=1SC16H19N3O2S2c201292314(117482211)1315(1712)19(1816(13)21)105213610h4781014H13569H2(H1720)(H1821)
MFCD28029910
OC1=Nc2c(C(SC1)c1cccs1)c(=O)(nH)n2C1CCCCC1
ZINC000095475263
ZINC000095475264
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