Vitas-M small molecule compound
(6Z)-6-{[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK649335
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)Cc1ccc2c(c1)OCO2)c1cccnc1
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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 C27H18N6O3S MW 506.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N6O3S/c28-24-20(25(34)30-27-33(24)31-26(37-27)17-4-3-9-29-12-17)11-18-14-32(21-6-2-1-5-19(18)21)13-16-7-8-22-23(10-16)36-15-35-22/h1-12,14,28H,13,15H2/b20-11-,28-24-InChIKey
LRUSRRDLQFMTJZ-IVIHXUNYSA-NSynonyms
845629-84-7(6Z)6((1(13benzodioxol5ylmethyl)1Hindol3yl)methylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1(benzo(d)(13)dioxol5ylmethyl)1Hindol3yl)methylene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845629847
MFCD04166048
O=C1N=c2sc(nn2C(=N)C1=Cc1cn(c2c1cccc2)Cc1ccc2c(c1)OCO2)c1cccnc1
ZINC000009281296
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