Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL442876
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)NCc1ccc2c(c1)OCO2
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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 C26H23N3O4S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S2/c30-22(27-13-16-10-11-19-20(12-16)33-15-32-19)14-34-26-28-24-23(18-8-4-5-9-21(18)35-24)25(31)29(26)17-6-2-1-3-7-17/h1-3,6-7,10-12H,4-5,8-9,13-15H2,(H,27,30)InChIKey
QQRRURPOCZZZRC-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NCC5=CC6=C(C=C5)OCO6
InChI=1SC26H23N3O4S2c3022(27131610111920(1216)33153219)143426282423(18845921(18)3524)25(31)29(26)176213717h13671012H45891315H2(H2730)
MFCD03216584
N(13benzodioxol5ylmethyl)2((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5ylmethyl)2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000001100037
ZINC01100037
ZINC1100037
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