Vitas-M small molecule compound

N-({2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)-4-(propan-2-yloxy)benzamide

Catalog ID
STK240313
SMILES COc1ccc(cc1NC(=S)NC(=O)c1ccc(cc1)OC(C)C)c1oc2c(n1)cc(cc2)C(C)C

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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 C28H29N3O4S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S/c1-16(2)19-8-13-25-23(14-19)29-27(35-25)20-9-12-24(33-5)22(15-20)30-28(36)31-26(32)18-6-10-21(11-7-18)34-17(3)4/h6-17H,1-5H3,(H2,30,31,32,36)
InChIKey
CYUIJLVVNFDAGE-UHFFFAOYSA-N
Synonyms

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)C4=CC=C(C=C4)OC(C)C
InChI=1SC28H29N3O4Sc116(2)198132523(1419)2927(3525)2091224(335)22(1520)3028(36)3126(32)1861021(11718)3417(3)4h617H15H3(H230313236)
MFCD03836802
N(((2METHOXY5(5(METHYLETHYL)BENZOXAZOL2YL)PHENYL)AMINO)THIOXOMETHYL)(4(METHYLETHOXY)PHENYL)CARBOXAMIDE
N((2METHOXY5(5(1METHYLETHYL)13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)4(1METHYLETHOXY)BENZAMIDE
N((2methoxy5(5(propan2yl)13benzoxazol2yl)phenyl)carbamothioyl)4(propan2yloxy)benzamide
N((2METHOXY5(5PROPAN2YL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)4PROPAN2YLOXYBENZAMIDE
ZINC000004122737
ZINC04122737
ZINC4122737

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.