Vitas-M small molecule compound
N-(4-butylphenyl)-2-{[3-(furan-2-ylmethyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL339872
SMILES CCCCc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-2-3-7-18-11-13-19(14-12-18)28-23(31)17-34-27-29-25-24(21-9-4-5-10-22(21)35-25)26(32)30(27)16-20-8-6-15-33-20/h6,8,11-15H,2-5,7,9-10,16-17H2,1H3,(H,28,31)InChIKey
LMKJHNWEERXYPN-UHFFFAOYSA-NSynonyms
760181-30-4760181304
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CO5
InChI=1SC27H29N3O3S2c123718111319(141218)2823(31)173427292524(219451022(21)3525)26(32)30(27)162086153320h681115H2579101617H21H3(H2831)
MFCD04014698
N(4butylphenyl)2((3(furan2ylmethyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4butylphenyl)2((3(furan2ylmethyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(4butylphenyl)2((3(furan2ylmethyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002422033
ZINC02422033
ZINC2422033
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