Vitas-M small molecule compound
N-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL313537
SMILES O=C(c1ccc2c(c1)OCCCO2)Nc1[nH]nc(n1)C1CC1
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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 C15H16N4O3 MW 300.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O3/c20-14(17-15-16-13(18-19-15)9-2-3-9)10-4-5-11-12(8-10)22-7-1-6-21-11/h4-5,8-9H,1-3,6-7H2,(H2,16,17,18,19,20)InChIKey
BHJXXBXXYFHFMU-UHFFFAOYSA-NSynonyms
1574466-13-91574466139
C1COC2=C(C=C(C=C2)C(=O)NC3=NNC(=N3)C4CC4)OC1
InChI=1SC15H16N4O3c2014(17151613(181915)9239)10451112(810)227162111h4589H1367H2(H21617181920)
MFCD28030167
N(3cyclopropyl1H124triazol5yl)34dihydro2H15benzodioxepine7carboxamide
N(5cyclopropyl1H124triazol3yl)34dihydro2H15benzodioxepine7carboxamide
N(5cyclopropyl1H124triazol3yl)34dihydro2Hbenzo(b)(14)dioxepine7carboxamide
O=C(c1ccc2c(c1)OCCCO2)Nc1(nH)nc(n1)C1CC1
O=C(c1ccc2c(c1)OCCCO2)Nc1n(nH)c(n1)C1CC1
ZINC000095475613
ZINC95475613
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