Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK930476
SMILES O=C(C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C)Nc1ccc(cc1)Cn1ncnc1
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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 C27H23N5O4 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O4/c1-31-25(18-8-11-22-23(12-18)36-16-35-22)24(20-4-2-3-5-21(20)27(31)34)26(33)30-19-9-6-17(7-10-19)13-32-15-28-14-29-32/h2-12,14-15,24-25H,13,16H2,1H3,(H,30,33)InChIKey
ALMIMYZHBMZCRS-UHFFFAOYSA-NSynonyms
1219545-67-11219545671
3(13benzodioxol5yl)2methyl1oxoN(4(124triazol1ylmethyl)phenyl)34dihydroisoquinoline4carboxamide
3(13benzodioxol5yl)2methyl1oxoN(4(1H124triazol1ylmethyl)phenyl)1234tetrahydroisoquinoline4carboxamide
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=C(C=C3)CN4C=NC=N4)C5=CC6=C(C=C5)OCO6
InChI=1SC27H23N5O4c13125(188112223(1218)36163522)24(20423521(20)27(31)34)26(33)30199617(71019)13321528142932h21214152425H1316H21H3(H3033)
MFCD16627552
N(4((1H124triazol1yl)methyl)phenyl)3(benzo(d)(13)dioxol5yl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
ZINC000040288082
ZINC000040288085
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