Vitas-M small molecule compound
methyl 2-({[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate
Catalog ID
STK466868
SMILES COC(=O)c1ccsc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C18H17N3O4S3 MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S3/c1-25-17(24)10-6-7-26-15(10)19-12(22)8-27-18-20-14(23)13-9-4-2-3-5-11(9)28-16(13)21-18/h6-7H,2-5,8H2,1H3,(H,19,22)(H,20,21,23)InChIKey
MWRCFEUKNRUBBX-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
COC(=O)c1ccsc1NC(=O)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC18H17N3O4S3c12517(24)10672615(10)1912(22)827182014(23)139423511(9)2816(13)2118h67H258H21H3(H1922)(H202123)
methyl2((((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl2((2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
MFCD06119981
ZINC000017099646
ZINC17099646
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