Vitas-M small molecule compound
N-[4-iodo-2-(propan-2-yl)phenyl]-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK117932
SMILES O=C(Nc1ccc(cc1C(C)C)I)CSc1nnc(n1C)COc1ccccc1
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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 C21H23IN4O2S MW 522.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23IN4O2S/c1-14(2)17-11-15(22)9-10-18(17)23-20(27)13-29-21-25-24-19(26(21)3)12-28-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3,(H,23,27)InChIKey
RMINWSQCNIGUBW-UHFFFAOYSA-NSynonyms
CC(C)C1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3
InChI=1SC21H23IN4O2Sc114(2)171115(22)91018(17)2320(27)132921252419(26(21)3)1228167546816h41114H1213H213H3(H2327)
MFCD04127847
N(4IODO2(PROPAN2YL)PHENYL)2((4METHYL5(PHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4IODO2PROPAN2YLPHENYL)2((4METHYL5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001115123
ZINC01115123
ZINC1115123
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