Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-nitro-2-oxo-2H-chromene-3-carboxamide
Catalog ID
STK464516
SMILES N#Cc1c(NC(=O)c2cc3cc(ccc3oc2=O)[N+](=O)[O-])sc2c1CCCCC2
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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 C20H15N3O5S MW 409.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O5S/c21-10-15-13-4-2-1-3-5-17(13)29-19(15)22-18(24)14-9-11-8-12(23(26)27)6-7-16(11)28-20(14)25/h6-9H,1-5H2,(H,22,24)InChIKey
SCJCCJFVOLKLPH-UHFFFAOYSA-NSynonyms
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC20H15N3O5Sc211015134213517(13)2919(15)2218(24)14911812(23(26)27)6716(11)2820(14)25h69H15H2(H2224)
MFCD06624707
N#Cc1c(NC(=O)c2cc3cc(ccc3oc2=O)(N+)(=O)(O))sc2c1CCCCC2
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)6nitro2oxo2Hchromene3carboxamide
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)6nitro2oxochromene3carboxamide
ZINC000002872525
ZINC02872525
ZINC2872525
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