Vitas-M small molecule compound
{[4-(4-methylphenyl)-5-oxo-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-2-ium-1-yl]sulfanyl}acetate
Catalog ID
STL039586
SMILES [O-]C(=O)CSc1[nH+]nc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CC(OC3)C(C)C
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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 C22H22N4O4S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S2/c1-11(2)15-8-14-16(9-30-15)32-20-18(14)19(29)25(13-6-4-12(3)5-7-13)21-23-24-22(26(20)21)31-10-17(27)28/h4-7,11,15H,8-10H2,1-3H3,(H,27,28)InChIKey
KGOQKDVNICHGCQ-UHFFFAOYSA-NSynonyms
371231-98-0((4(4methylphenyl)5oxo7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin2ium1yl)sulfanyl)acetate
(O)C(=O)CSc1(nH+)nc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CC(OC3)C(C)C
371231980
CC1=CC=C(C=C1)N2C(=O)C3=C((N+)4=C2NN=C4SCC(=O)(O))SC5=C3CC(OC5)C(C)C
InChI=1SC22H22N4O4S2c111(2)1581416(93015)322018(14)19(29)25(136412(3)5713)21232422(26(20)21)311017(27)28h471115H810H213H3(H2728)
MFCD03006669
ZINC000002312740
ZINC000002312741
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