Vitas-M small molecule compound
{[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STK541708
SMILES C=CCn1c(SCC(=O)O)nnc1c1ccc2c(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 C14H13N3O4S MW 319.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O4S/c1-2-5-17-13(15-16-14(17)22-7-12(18)19)9-3-4-10-11(6-9)21-8-20-10/h2-4,6H,1,5,7-8H2,(H,18,19)InChIKey
LIBAHECQDPGWEQ-UHFFFAOYSA-NSynonyms
494825-63-7((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)aceticacid
2((4ALLYL5(BENZO(D)(13)DIOXOL5YL)4H124TRIAZOL3YL)THIO)ACETICACID
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETICACID
2(5(2HBENZO(34D)13DIOXOLEN5YL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETICACID
494825637
C=CCN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)OCO3
InChI=1SC14H13N3O4Sc1251713(151614(17)22712(18)19)9341011(69)2182010h246H1578H2(H1819)
MFCD03301683
ZINC000000079336
ZINC79336
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