Vitas-M small molecule compound

2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STL079717
SMILES O=c1[nH]c(SCc2n[nH]c(=S)n2c2ccccc2)nc2c1c1CCCCc1s2

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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 C19H17N5OS3 MW 427.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5OS3/c25-16-15-12-8-4-5-9-13(12)28-17(15)21-18(20-16)27-10-14-22-23-19(26)24(14)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,23,26)(H,20,21,25)
InChIKey
KGYMOSQCTTVFQO-UHFFFAOYSA-N
Synonyms
302949-26-4
2(((4phenyl5thioxo45dihydro1H124triazol3yl)methyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((4phenyl5sulfanylidene1H124triazol3yl)methylsulfanyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
302949264
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC4=NNC(=S)N4C5=CC=CC=C5
InChI=1SC19H17N5OS3c25161512845913(12)2817(15)2118(2016)271014222319(26)24(14)116213711h1367H45810H2(H2326)(H202125)
MFCD01918545
O=c1(nH)c(SCc2n(nH)c(=S)n2c2ccccc2)nc2c1c1CCCCc1s2
ZINC000002665418
ZINC2665418

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Available files

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