Vitas-M small molecule compound
{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STK534597
SMILES OC(=O)CSc1nnc(n1c1ccccc1)c1ccc2c(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 C17H13N3O4S MW 355.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O4S/c21-15(22)9-25-17-19-18-16(20(17)12-4-2-1-3-5-12)11-6-7-13-14(8-11)24-10-23-13/h1-8H,9-10H2,(H,21,22)InChIKey
GMYYZRSOBBZPTI-UHFFFAOYSA-NSynonyms
((5(13benzodioxol5yl)4phenyl4H124triazol3yl)sulfanyl)aceticacid
((5(13BENZODIOXOL5YL)4PHENYL4H124TRIAZOL3YL)THIO)ACETICACID
2((5(13BENZODIOXOL5YL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETICACID
2((5(benzo(d)(13)dioxol5yl)4phenyl4H124triazol3yl)thio)aceticacid
2(5(2HBENZO(34D)13DIOXOLEN5YL)4PHENYL124TRIAZOL3YLTHIO)ACETICACID
C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)O
InChI=1SC17H13N3O4Sc2115(22)92517191816(20(17)124213512)11671314(811)24102313h18H910H2(H2122)
MFCD02220943
ZINC000004134794
ZINC4134794
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